Exploring potent aldose reductase inhibitors for anti-diabetic (anti-hyperglycemic) therapy: integrating structure-based drug design, and MMGBSA approaches

Exploring potent aldose reductase inhibitors for anti-diabetic (anti-hyperglycemic) therapy: integrating structure-based drug design, and MMGBSA approaches

Aldose reductase (AR) is an important target in the development of therapeutics against hyper-glycemia-induced health complications such as retinopathy, etc. In this study, we employed a combination of structure-based drug design, molecular simulation, and free energy calculation approaches to ident...

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Bibliographic Details
Main Authors: Muhammad Shahab, Guojun Zheng, Fahad M. Alshabrmi, Mohammed Bourhia, Gezahign Fentahun Wondmie, Ahmad Mohammad Salamatullah
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-11-01
Series:Frontiers in Molecular Biosciences
Subjects:
aldose reductase
diabetes melitus
SBVS
molecular docking simulation
MMGBSA
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2023.1271569/full

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